5-(2-fluoranyl-3-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine

Systemtic Name: 5-(2-fluoranyl-3-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(2-fluoro-3-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(2-fluoro-3-methylhexoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(2-fluoro-3-methylhexoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(2-fluoro-3-methyl-hexoxy)-2-(4-octylphenyl)pyrimidine Formula: C25H37FN2O MolecularWeight: 400.572483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(C)CCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(C)CCC)F

InChI

InChI=1S/C25H37FN2O/c1-4-6-7-8-9-10-12-21-13-15-22(16-14-21)25-27-17-23(18-28-25)29-19-24(26)20(3)11-5-2/h13-18,20,24H,4-12,19H2,1-3H3